N-(2-methyl-1,2,3,4-tetrazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-methyl-1,2,3,4-tetrazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-methyltetrazol-5-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2-methyl-5-tetrazolyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-methyltetrazol-5-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-methyltetrazol-5-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C13H15N7O3 MolecularWeight: 317.3033

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1N=C(N=N1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N7O3/c1-18-16-13(15-17-18)14-12(21)9-4-5-10(11(8-9)20(22)23)19-6-2-3-7-19/h4-5,8H,2-3,6-7H2,1H3,(H,14,16,21)